N-[1-(2-propan-2-yloxyethyl)piperidin-4-yl]-2-thiomorpholin-3-ylacetamide

C16H31N3O2S — CID 119942509

IUPACN-[1-(2-propan-2-yloxyethyl)piperidin-4-yl]-2-thiomorpholin-3-ylacetamide
SMILESCC(C)OCCN1CCC(NC(=O)CC2CSCCN2)CC1
InChIInChI=1S/C16H31N3O2S/c1-13(2)21-9-8-19-6-3-14(4-7-19)18-16(20)11-15-12-22-10-5-17-15/h13-15,17H,3-12H2,1-2H3,(H,18,20)
InChIKeyRUWVXNIJLMPPPX-UHFFFAOYSA-N
MW329.51 g/mol
LogP1.09
Rot. Bonds7

About N-[1-(2-propan-2-yloxyethyl)piperidin-4-yl]-2-thiomorpholin-3-ylacetamide

N-[1-(2-propan-2-yloxyethyl)piperidin-4-yl]-2-thiomorpholin-3-ylacetamide (PubChem CID 119942509) has the molecular formula C16H31N3O2S and a molecular weight of 329.51 g/mol. Its IUPAC name is N-[1-(2-propan-2-yloxyethyl)piperidin-4-yl]-2-thiomorpholin-3-ylacetamide.

Molecular Properties

Compound NameN-[1-(2-propan-2-yloxyethyl)piperidin-4-yl]-2-thiomorpholin-3-ylacetamide
PubChem CID119942509
Molecular FormulaC16H31N3O2S
Molecular Weight329.51 g/mol
Exact Mass329.21
IUPAC NameN-[1-(2-propan-2-yloxyethyl)piperidin-4-yl]-2-thiomorpholin-3-ylacetamide
SMILESCC(C)OCCN1CCC(NC(=O)CC2CSCCN2)CC1
InChIInChI=1S/C16H31N3O2S/c1-13(2)21-9-8-19-6-3-14(4-7-19)18-16(20)11-15-12-22-10-5-17-15/h13-15,17H,3-12H2,1-2H3,(H,18,20)
InChIKeyRUWVXNIJLMPPPX-UHFFFAOYSA-N
XLogP1.09
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.51
LogP ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[1-(2-propan-2-yloxyethyl)piperidin-4-yl]-2-thiomorpholin-3-ylacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[1-(2-methoxyethyl)piperidin-4-yl]-2-thiomorpholin-3-ylacetamide;dihydrochloride
CID 119941513
N-(1-propylpiperidin-4-yl)-2-thiomorpholin-3-ylacetamide
CID 66420098
N-cyclopropyl-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119935015
N-[1-(2-ethylbutanoyl)piperidin-4-yl]-2-thiomorpholin-3-ylacetamide
CID 119936782
2-(cyclopropylmethylamino)-N-[1-(2-propan-2-yloxyethyl)piperidin-4-yl]acetamide
CID 119898185
N-(1-cyclopentylpiperidin-4-yl)-2-thiomorpholin-3-ylacetamide
CID 119941128
3-amino-N-[1-(2-propan-2-yloxyethyl)piperidin-4-yl]propanamide
CID 119898215
N-(1-cyclopropylethyl)-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119935575
N-(1-propanoylpyrrolidin-3-yl)-2-thiomorpholin-3-ylacetamide
CID 119940142
2-methyl-N-[1-(2-thiomorpholin-3-ylacetyl)piperidin-4-yl]propanamide
CID 66422049
2-methoxy-N-[1-(2-thiomorpholin-3-ylacetyl)piperidin-4-yl]acetamide
CID 66422654
N-(4-methylcycloheptyl)-2-thiomorpholin-3-ylacetamide
CID 114100026

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-propan-2-yloxyethyl)piperidin-4-yl]-2-thiomorpholin-3-ylacetamide?
The IUPAC name of N-[1-(2-propan-2-yloxyethyl)piperidin-4-yl]-2-thiomorpholin-3-ylacetamide (CID 119942509) is N-[1-(2-propan-2-yloxyethyl)piperidin-4-yl]-2-thiomorpholin-3-ylacetamide.
What is the SMILES notation for N-[1-(2-propan-2-yloxyethyl)piperidin-4-yl]-2-thiomorpholin-3-ylacetamide?
The canonical SMILES for N-[1-(2-propan-2-yloxyethyl)piperidin-4-yl]-2-thiomorpholin-3-ylacetamide is CC(C)OCCN1CCC(NC(=O)CC2CSCCN2)CC1.
What is the InChIKey of N-[1-(2-propan-2-yloxyethyl)piperidin-4-yl]-2-thiomorpholin-3-ylacetamide?
The InChIKey is RUWVXNIJLMPPPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31N3O2S/c1-13(2)21-9-8-19-6-3-14(4-7-19)18-16(20)11-15-12-22-10-5-17-15/h13-15,17H,3-12H2,1-2H3,(H,18,20).
What are the key properties of N-[1-(2-propan-2-yloxyethyl)piperidin-4-yl]-2-thiomorpholin-3-ylacetamide?
N-[1-(2-propan-2-yloxyethyl)piperidin-4-yl]-2-thiomorpholin-3-ylacetamide has a molecular weight of 329.51 g/mol, XLogP of 1.09, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-propan-2-yloxyethyl)piperidin-4-yl]-2-thiomorpholin-3-ylacetamide is sourced from PubChem (CID 119942509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).